SCHEMBL7143543

SCHEMBL7143543

CCN1CCC[CH][C@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
GAA P10253 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14834704 1.00 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL3080948 1.00 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL4703205 0.95 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL14834486 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL14834460 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL3966132 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL14834692 0.86 LMNA (0.35) SMN1; SMN2L3MBTL1DRD2
SCHEMBL14834396 0.86 LMNA (0.35) SMN1; SMN2L3MBTL1DRD2
SCHEMBL11972105 0.80 OPRM1 (0.36) SMN1; SMN2ALDH1A1GAA
SCHEMBL15049918 0.80 OPRM1 (0.36) SMN1; SMN2ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP claimed
US-8642601-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2014-02-04 US claimed
EP-2576537-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 EP claimed
WO-2011151358-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO claimed
US-20110301171-A1 Inhibitors of JNK ARZENO HUMBERTO BARTOLOME (US) 2011-12-08 US claimed
EP-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
US-8642601-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2014-02-04 US disclosed
US-20110301171-A1 Inhibitors of JNK ARZENO HUMBERTO BARTOLOME (US) 2011-12-08 US disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110301171-A1 Inhibitors of JNK MAPK9, MAP3K9, MAPK1 SMN1; SMN2 3209/4885L3MBTL1 1546/4885ALDH1A1 4409/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP SMN1; SMN2 3409/4885L3MBTL1 3514/4885ALDH1A1 767/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.